1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H13ClF3N3O2 — CID 32728278

IUPAC1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H13ClF3N3O2/c1-27-14-8-4-12(5-9-14)24-17(26)15-10-23-25(16(15)18(20,21)22)13-6-2-11(19)3-7-13/h2-10H,1H3,(H,24,26)
InChIKeyOKLOFNAHNAMQNN-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.81
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 32728278) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID32728278
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C18H13ClF3N3O2/c1-27-14-8-4-12(5-9-14)24-17(26)15-10-23-25(16(15)18(20,21)22)13-6-2-11(19)3-7-13/h2-10H,1H3,(H,24,26)
InChIKeyOKLOFNAHNAMQNN-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 32728278) is 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OKLOFNAHNAMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-27-14-8-4-12(5-9-14)24-17(26)15-10-23-25(16(15)18(20,21)22)13-6-2-11(19)3-7-13/h2-10H,1H3,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32728278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).